相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Communication: A chemically accurate global potential energy surface for the HO+CO → H+CO2 reaction
Jun Li et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Full-dimensional quantum state resolved predissociation dynamics of HCO2 prepared by photodetaching HCO2-
Jianyi Ma et al.
CHEMICAL PHYSICS LETTERS (2011)
Communication: New insight into the barrier governing CO2 formation from OH+CO
Christopher J. Johnson et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Accurate time dependent wave packet calculations for the N plus OH reaction
Niyazi Bulut et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Nonadiabatic quantum dynamics of C(1D)+H2 → CH+H: Coupled-channel calculations including Renner-Teller and Coriolis terms
Paolo Defazio et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
State-to-state quantum dynamics of the N(4S) plus OH(X2Π) → H(2S) plus NO(X2Π) reaction
Changjian Xie et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A global ab initio potential energy surface for HNO (a3A) and quantum mechanical studies of vibrational states and reaction dynamics
Anyang Li et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Quantum and quasiclassical state-to-state dynamics of the NH plus H reaction: Competition between abstraction and exchange channels
Zheng Li et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Communication: Highly accurate ozone formation potential and implications for kinetics
Richard Dawes et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Communication: State-to-state quantum dynamics study of the OH+CO → H+CO2 reaction in full dimensions (J=0)
Shu Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
State-to-State Quantum Dynamics Calculations of the C plus OH Reaction on the Second Excited Potential Energy Surface
M. Jorfi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Influence of ro-vibrational and isotope effects on the dynamics of the C(3P)+ OD(X2) CO(X1 σ+) + D(2S) reaction
Mohamed Jorfi et al.
MOLECULAR PHYSICS (2011)
Coriolis coupling effects in the dynamics of deep well reactions: application to the H+ + D-2 reaction
M. Hankel
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Reaching the cold regime: S(D-1)+H-2 and the role of long-range interactions in open shell reactive collisions
Manuel Lara et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
The O(D-1)+H-2 (X (1)Sigma(+), v, j) -> OH(X (2)Pi, v ', j ')+H(S-2) reaction at low collision energy: when a simple statistical description of the dynamics works
A. Rivero-Santamaria et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Observation of partial wave structures in the integral cross section of the S(D-1(2)) + H-2(j=0) reaction
Manuel Lara et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Anatomy of the S(D-1)+H-2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations
M. Hankel et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
State-to-state quantum dynamics of the H(S-2) + O-2((a)over-tilde(1)Delta(g)) -> O(P-3) + OH((X)over-tilde(2) Pi) reaction on the first excited state of HO2((A)over-tilde(2)A ')
Jianyi Ma et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
High-dimensional ab initio potential energy surfaces for reaction dynamics calculations
Joel M. Bowman et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Revealing Atom-Radical Reactivity at Low Temperature Through the N plus OH Reaction
Julien Daranlot et al.
SCIENCE (2011)
Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH → H2O+D
Chunlei Xiao et al.
SCIENCE (2011)
Quantitative vibronic coupling calculations: the formyloxyl radical
Kerstin Klein et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
HOCO Radical Chemistry
Joseph S. Francisco et al.
ACCOUNTS OF CHEMICAL RESEARCH (2010)
Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited, ((A)over-tilde2A′) state of HO2
Anyang Li et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H2 including the open-shell character of the Cl atom
Zhigang Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Measurement of the differential cross section of the photoinitiated reactive collision of O(1D)+D2 using only one molecular beam: A study by three dimensional velocity mapping
S. Kauczok et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Quantum dynamics of the C(1D)+HD and C(1D)+n-D2 reactions on the a≈ 1A' and b≈ 1A′ surfaces
Paolo Defazio et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Quantum dynamics of the H+O2→O+OH reaction
Goulven Quemener et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
State-to-state quantum dynamics of the O(3P)+OH(2Π)→H(2S)+O2(3Σg-) reaction
Jianyi Ma et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates
Zhigang Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Parallel implementation of an efficient preconditioned linear solver for grid-based applications in chemical physics. III: Improved parallel scalability for sparse matrix-vector products
Wenwu Chen et al.
JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING (2010)
Accurate Potential Energy Surface for the 12A′ State of NH2: Scaling of External Correlation Versus Extrapolation to the Complete Basis Set Limit
Y. Q. Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Vibronic Structure of the Formyloxyl Radical (HCO2) via Slow Photoelectron Velocity-Map Imaging Spectroscopy and Model Hamiltonian Calculations
Etienne Garand et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Quantum Dynamics at the State-to-State Level of the C plus OH Reaction on the First Excited Potential Energy Surface
M. Jorfi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Non-Born-Oppenheimer State-to-State Dynamics of the N(2D) + H2 → NH((X)over-tilde3Σ-) + H Reaction: Influence of the Renner-Teller Coupling
Shi Ying Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Dissociative Photodetachment Studies of Cooled HOCO- Anions Revealing Dissociation Below the Barrier to H + CO2
Christopher J. Johnson et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Dynamics of the C(D-1)+H-2 reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (1(1)A ' and 1(1)A '') potential energy surfaces
Nadia Balucani et al.
MOLECULAR PHYSICS (2010)
Exact and truncated Coriolis coupling calculations for the S(D-1) plus HD reaction employing the ground adiabatic electronic state
Huan Yang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
The dynamics of the H+ + D-2 reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results
P. G. Jambrina et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Kinetics and Dynamics of the S(1D2) + H2 → SH plus H Reaction at Very Low Temperatures and Collision Energies
Coralie Berteloite et al.
PHYSICAL REVIEW LETTERS (2010)
State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions
Zhigang Sun et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Quantum wave packet study of the C(1D) plus H2 reaction
Jie Liu et al.
CHEMICAL PHYSICS LETTERS (2009)
Quasi-classical determination of integral cross-sections and rate constants for the N plus OH → NO plus H reaction
M. Jorfi et al.
CHEMICAL PHYSICS LETTERS (2009)
Quasiclassical trajectory calculations of differential cross sections and product energy distributions for the N plus OH→NO plus H reaction
Mohamed Jorfi et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
NH(X3Σ)+H/D(2S)→H(2S) plus NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model
Zheng Li et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Effects of the rotational excitation of D2 and of the potential energy surface on the H++D2→HD+D+ reaction
T. Gonzalez-Lezana et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
An ab initio global potential-energy surface for NH2(A2A') and vibrational spectrum of the Renner-Teller A2A'-X2A' system
Shulan Zhou et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Time-dependent wave packet and quasiclassical trajectory study of the C(3P)+OH(X 2Π)→CO(X 1Σ+)+H(2S) reaction at the state-to-state level
Niyazi Bulut et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations
Zhigang Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Born-Oppenheimer quantum dynamics of the C(1D)+H2 reaction on the CH2 (a)over-tilde 1A1 and (b)over-tilde 1B1 surfaces
Paolo Defazio et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit
Y. Z. Song et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
On the statistical behavior of the O plus OH→H+O2 reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations
Mohamed Jorfi et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
O+OH→O2+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment
F. Lique et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4→HF+CH3 reaction
Gabor Czako et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Adiabatic and Nonadiabatic State-to-State Quantum Dynamics for O(1D) + H2(X1Σg+, vi = ji=0) → OH(X2Π, vf, jf) + H(2S) Reaction
Shi Ying Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
State-to-State Quantum Dynamical Study of the N plus OH → NO plus H Reaction
M. Jorfi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of Methylene
S. Joseph et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2 Reaction
Zhigang Sun et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The d6-Metals
Tait Takatani et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Differential Cross Sections and Product Rotational Polarization in A plus BC Reactions Using Wave Packet Methods: H+ + D2 and Li + HF Examples
A. Zanchet et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Quantum Wave Packet Method for State-to-State Reactive Scattering Calculations on AB plus CD → ABC plus D Reactions
Marko T. Cvitas et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
State-to-state reactive scattering using reactant-product decoupling
Marko T. Cvitas et al.
PHYSICA SCRIPTA (2009)
Integral and differential cross sections for the S(D-1) plus HD reaction employing the ground adiabatic electronic state
H. Yang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Effects of reactant rotational excitation on H + O-2 -> OH plus O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations
Shi Ying Lin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Study of the C(P-3) + OH(X-2 Pi) -> CO(a(3)Pi) + H(S-2) reaction: fully global ab initio potential energy surfaces of the 1(2)A '' and 1(4)A '' excited states and non adiabatic couplings
Alexandre Zanchet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Formation of molecular oxygen in ultracold O plus OH collisions
Goulven Quemener et al.
PHYSICAL REVIEW A (2009)
New theoretical results concerning the interstellar abundance of molecular oxygen
Donghui Quan et al.
ASTROPHYSICAL JOURNAL (2008)
Mechanistic insights into the H+O2 → OH+O reaction from quasi-classical trajectory studies on a new ab initio potential energy surface
Gyoergy Lendvay et al.
CHEMICAL PHYSICS (2008)
Quantum dynamics of C(3P)+OH(X2Π)→H(2S)+CO(X1Σ+) reaction
Shi Ying Lin et al.
CHEMICAL PHYSICS LETTERS (2008)
Quasiclassical trajectory scattering calculations for the OH+O → H+O2 reaction:: Cross sections and rate constants
M. Jorfi et al.
CHEMICAL PHYSICS LETTERS (2008)
DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions
Marlies Hankel et al.
COMPUTER PHYSICS COMMUNICATIONS (2008)
Time-dependent and time-independent wavepacket approaches to reactive scattering and photodissociation dynamics
Gabriel G. Balint-Kurti
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2008)
Long-range multipolar potentials of the 18 spin-orbit states arising from the C(3P)+OH(X 2Π) interaction
Beatrice Bussery-Honvault et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A new ab initio potential-energy surface for NH2(X2A) and quantum studies of NH2 vibrational spectrum and rate constant for the N(2D)+H2→NH+H reaction
Shulan Zhou et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Quantum dynamics of the O plus OH→H+O2 reaction at low temperatures
Goulven Quemener et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
On the dynamics of the H++D2(v=0, j=0) → HD + D+ reaction:: A comparison between theory and experiment
Estela Carmona-Novillo et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Energy dependence of differential and integral cross sections for O(1D)+H2(νi=0, ji=0)→OH(νf, jf)+H reaction
Shi Ying Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Differential cross sections and product energy distributions for the C(3P)+OH(X 2Π)→CO(X 1Σ+)+H(2S) reaction using a quasiclassical trajectory method
Alexandre Zanchet et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Renner-Teller coupled-channel dynamics of the N(2D)+H2 reaction and the role of the NH2 A 2A1 electronic state
Pablo Gamallo et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A comparison of quantum and quasiclassical statistical models for reactions of electronically excited atoms with molecular hydrogen
F. J. Aoiz et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Study of the H+O2 reaction by means of quantum mechanical and statistical approaches:: The dynamics on two different potential energy surfaces
Pedro Bargueno et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Theoretical determination of rate constants for vibrational relaxation and reaction of OH(X 2Π, v=1) with O(3P) atoms
Jacek A. Klos et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions
Richard Dawes et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface
Shi Ying Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Fully Coriolis-coupled quantum studies of the H+O2 (vi=0-2, ji=0,1) → OH+O reaction on an accurate potential energy surface:: Integral cross sections and rate constants
Shi Ying Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
State-to-State Dynamics of H + O2 Reaction, Evidence for Nonstatistical Behavior
Zhigang Sun et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
AN ACCURATE QUANTUM DYNAMICS STUDY OF THE N plus OH REACTION
Mei-Hua Ge et al.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2008)
Theoretical studies on bimolecular reaction dynamics
David C. Clary
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
The extent of non-Born-Oppenheimer coupling in the reaction of Cl(2P) with para-H2
Xingan Wang et al.
SCIENCE (2008)
Quantum wave packet dynamics of N(2D)+H2 reaction
B. Jayachander Rao et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Coriolis coupling effects on the initial-state-resolved dynamics of the N(2D)+H2→NH+H reaction
Paolo Defazio et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Theoretical study of the multiplet branching of the SD product in the S(1D)+D2→SD(2Π)+D reaction
Jacek A. Klos et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Analysis of the HO2 vibrational spectrum on an accurate ab initio potential energy surface
Chuanxiu Xu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Significant nonadiabatic effects in the S(1D)+HD reaction
Tian-Shu Chu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Mean potential phase space theory of chemical reactions
P. Larregaray et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Breakdown of the Born-Oppenheimer approximation in the F+o-D2→DF+D reaction
Li Che et al.
SCIENCE (2007)
State-to-state reaction probabilities for the H+O2(v,j)→O+OH(v',j') reaction on three potential energy surfaces
Marlies Hankel et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Rate constant for OH(2Π)+O(3P)→H(2S)+O2(3Σg-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem
Chuanxiu Xu et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Differential and integral cross sections for the H+O2→OH+O combustion reaction
Pascal Honvault et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Dynamics on the HOCO potential energy surface studied by dissociative photodetachment of HOCO- and DOCO-
Zhou Lu et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Cross sections and rate constants for the C(3P)+OH(X2Π)→CO(X1Σ+)+H(2S) reaction using a quasiclassical trajectory method
Alexandre Zanchet et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
A statistical quasiclassical trajectory model for atom-diatom insertion reactions
F. J. Aoiz et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Differential and integral cross sections of the N(2D)+H2→NH+H reaction from exact quantum and quasi-classical trajectory calculations
Shi Ying Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Dynamics of the Rydberg electron in H*+D2→D*+HD reactive collisions
Michael Y. Hayes et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Nonstatistical behavior of reactive scattering in the 18O+32O2 isotope exchange reaction
Annalise L. Van Wyngarden et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Global analytical potential energy surfaces for HO2((X)over-tilde2A) based on high-level ab initio calculations
Daiqian Xie et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
A detailed trajectory study of the OH+CO → H+CO2 reaction
Ernesto Garcia et al.
CHEMICAL PHYSICS (2007)
Classical treatment of molecular collisions:: striking improvement of the description of recoil energy distributions using Gaussian weighted trajectories
M. L. Gonzalez-Martinez et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Wave packet and quasiclassical trajectory calculations for the N(2D)+H2 reaction and its isotopic variants
J. F. Castillo et al.
CHEMICAL PHYSICS (2007)
On the theory of complex-forming chemical reactions:: effect of parity conservation on the polarization of differential cross sections
L. Bonnet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Time dependent wave packet and statistical calculations on the H+O2 reaction
Pedro Bargueno et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Quantum dynamics of the H+O2 → O+OHreaction on an accurate Ab initio potential energy surface
Shi Ying Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Rate constant calculations on the N(4S)+OH(2Π) reaction
David Edvardsson et al.
CHEMICAL PHYSICS LETTERS (2006)
Dynamics of insertion reactions of H2 molecules with excited atoms
F. J. Aoiz et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Parallel implementation of efficient preconditioned linear solver for grid-based applications in chemical physics. I: Block Jacobi diagonalization
Wenwu Chen et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2006)
Parallel implementation of efficient preconditioned linear solver for grid-based applications in chemical physics. II: QMR linear solver
Wenwu Chen et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2006)
Study of the C(3P)+OH(X2II)→CO(X1Σg+)+H(2S) reaction:: A fully global ab initio potential energy surface of the X2A′ state
Alexandre Zanchet et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
State-to-state reactive differential cross sections for the H+H2→H2+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code:: DIFFREALWAVE
Marlies Hankel et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Quantum dynamics study of the dissociative photodetachment of HOCO-
Shesheng Zhang et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Theories of reactive scattering
Wenfang Hu et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H++H2→H2+H+ exchange reaction
Tomas Gonzalez-Lezana et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Revelation of non-statistical behavior in HO2 vibration by a new ab initio potential energy surface
Shi Ying Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Ab initio study of the potential energy surface for the OH plus CO→H+CO2 reaction
Xinli Song et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Accurate DMBE potential energy surface for the N(2D)+H2(1Σ+g) reaction using an improved switching function formalism
A. J. C. Varandas et al.
THEORETICAL CHEMISTRY ACCOUNTS (2006)
Renner-Teller quantum dynamics of the N(2D)+H2→NH+H reaction
Paolo Defazio et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatments
Susana Gomez-Carrasco et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Quantum state-to-state cross sections for atom-diatom reactions: A Chebyshev real wave-packet approach
Shi Ying Lin et al.
PHYSICAL REVIEW A (2006)
Temperature dependence of O+OH at 136-377 K using ozone photolysis
Robert Robertson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Quantum statistical study of O+O2 isotopic exchange reactions:: Cross sections and rate constants
SY Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Quantum mechanical and quasiclassical trajectory scattering calculations for the C(1D)+H2 reaction on the second excited 1 1A potential energy surface -: art. no. 154314
P Honvault et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Accurate rate constant and quantum effects for N(2D)+H2 reaction
AJC Varandas et al.
CHEMICAL PHYSICS LETTERS (2006)
Experimental and quantum dynamical study on an asymmetric insertion reaction:: State-to-state dynamics of O(1D)+HD(1Σg+,υ'=0,j'=0)→OH(2Π,υ'',N'')+D(2S)
KJ Yuan et al.
PHYSICAL REVIEW LETTERS (2006)
Observation of Feshbach resonances in the F+H2 → HF+H reaction
MH Qiu et al.
SCIENCE (2006)
Kinetics of the radical-radical reaction, O(3PJ)+OH(X2ΠΩ) → O2+H, at Temperatures down to 39 K
D Carty et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
A quantum wave packet dynamics study of the N(2D)+H2 reaction
TS Chu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Quantum mechanical rate constants for H+O2 ⇆ O+OH and H+O2 → HO2 reactions
SY Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Exact quantum dynamics of N(2D)+H2→NH+H reaction:: Cross-sections, rate constants, and dependence on reactant rotation -: art. no. 031101
SY Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Experimental and theoretical differential cross sections for the N(2D)+H2 reaction
N Balucani et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Identifying spectator bonds in modeling reactions:: OH+CO→H+CO2
R Valero et al.
CHEMICAL PHYSICS LETTERS (2006)
Parity conservation and polarization of differential cross sections in complex-forming chemical reactions
L. Bonnet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Influence of rotation and isotope effects on the dynamics of the N(2D)+H2 reactive system and of its deuterated variants -: art. no. 224301
L Bañares et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Quantum approaches for the insertion dynamics of the H++D2 and D++H2 reactive collisions -: art. no. 194309
T González-Lezana et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
On the theory of the CO plus OH reaction, including H and C kinetic isotope effects
WC Chen et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Chemical reaction dynamics of Rydberg atoms with neutral molecules:: A comparison of molecular-beam and classical trajectory results for the H(n)+D2→HD+D(n′) reaction -: art. no. 074314
H Song et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Quantum wave packet study of the H+ plus D2 reaction on diabatic potential energy surfaces
RF Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Dynamics of the O(1D) +D2 reaction:: a comparison between crossed molecular beam experiments and quasiclassical trajectory calculations on the lowest three potential energy surfaces
N Balucani et al.
MOLECULAR PHYSICS (2005)
A quasiclassical trajectory study of the reaction H+O2⇆OH+O with the O2 reagent vibrationally excited
RJ Duchovic et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
State-to-state dynamics of high-n rydberg H-atom scattering with D2 -: art. no. 013201
CC Wang et al.
PHYSICAL REVIEW LETTERS (2005)
A new ab initio potential-energy surface of HO2(X2A) and quantum studies of HO2 vibrational spectrum and rate constants for the H+O2⇆O+OH reactions -: art. no. 244305
CX Xu et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Dynamics of the C(1D)+D2 reaction:: A comparison of crossed molecular-beam experiments with quasiclassical trajectory and accurate statistical calculations -: art. no. 234309
N Balucani et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Experimental and theoretical investigations of the reactions NH(X 3Σ-)+D(2S)→ND(X 3Σ-)+H(2S) and NH(X 3Σ-)+D(2S)→N(4S) plus HD(X 1Σg+) -: art. no. 204313
ZW Qu et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Quantum wave packet study of S(1D)+HD reaction
F Gogtas et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2005)
Resonances of CH2((a)over-tilde1A1) and their roles in unimolecular and bimolecular reactions -: art. no. 124308
SY Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Nonadiabatic time-dependent wave packet study of the D++H2 reaction system
TS Chu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Quantum wave packet study of S(1D)+D2→SD+D reaction
N Bulut et al.
CHEMICAL PHYSICS (2005)
The effect of zero-point energy differences on the isotope dependence of the formation of ozone: A classical trajectory study
R Schinke et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
An openMP/MPI approach to the parallelization of iterative four-atom quantum mechanics
DM Medvedev et al.
COMPUTER PHYSICS COMMUNICATIONS (2005)
Quantum statistical and wave packet studies of insertion reactions of S(1D) with H2, HD, and D2 -: art. no. 074304
S Ying Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Evaluated kinetic data for combustion modeling: Supplement II
DL Baulch et al.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2005)
Treating singularities present in the Sutcliffe-Tennyson vibrational Hamiltonian in orthogonal internal coordinates -: art. no. 024101
G Czakó et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
A complete statistical analysis of the reaction between OH and CO
JP Senosiain et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)
Reactive scattering of Rydberg atoms: H*+D-2 -> HD+D*
E Wrede et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Quantum mechanical and quasi-classical trajectory reaction probabilities and cross sections for the S(D-1)+H-2,D-2,HD insertion reactions
L Banares et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Global 1 (1)A '' potential energy surface of CH2 and quantum dynamics of a sideways insertion mechanism for the C(D-1)+H-2 -> CH((2)Pi)+H reaction
B Bussery-Honvault et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Quantum and quasiclassical studies of the O(P-3)+HCl -> OH+Cl(P-2) reaction using benchmark potential surfaces
T Xie et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
The observation of quantum bottleneck states
RT Skodje et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2004)
Quantum wave packet studies of the C(1D)+H2→CH+H reaction:: Integral cross section and rate constant
SY Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Dynamics of the S(1D)+H2 insertion reaction:: A combined quantum mechanical and quasiclassical trajectory study
L Bañares et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
New results for the OH (v=0,j=0)+CO (v=0,j=0)→H+CO2 reaction:: Five- and full-dimensional quantum dynamical study on several potential energy surfaces
R Valero et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Quantum integral cross-section and rate constant of the O(1D)+ H2 → OH+H reaction on a new potential energy surface
SY Lin et al.
CHEMICAL PHYSICS LETTERS (2004)
Quantum reactive scattering with a transmission-free absorbing potential
T Gonzalez-Lezana et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Quantum wave packet and quasiclassical trajectory studies of OH+CO: Influence of the reactant channel well on thermal rate constants
DM Medvedev et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The transition-state region of the O(3P)+O2(3Σg-) potential energy surface
R Schinke et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Product multiplet branching in the O(1D)+H2→OH(2Π)+H reaction
MH Alexander et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Reactions of C(1D) with H2 and its deuterated isotopomers, a wave packet study
SY Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Quantum dynamics of vibrationally activated OH-CO reactant complexes
Y He et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Ultrafast excited-state deprotonation and electron transfer in hydroxyquinoline derivatives
TG Kim et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Calculation of the rate constant for state-selected recombination of H+O2(v) as a function of temperature and pressure
H Teitelbaum et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Time-dependent quantum dynamical study of C(D-1)+H-2 -> CH+H and S(D-1)+H-2 -> SH+H reactive collisions
L Mouret et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Dynamics of the insertion reaction C(D-1)+H-2: A comparison of crossed molecular beam experiments with quasiclassical trajectory and quantum mechanical scattering calculations
N Balucani et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
A wave packet based statistical approach to complex-forming reactions
SY Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Importance of intersystem crossing in the S(3P,1D)+H2→SH+H reaction
B Maiti et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Quantum scattering calculations of the H+O2→O+OH reaction
RA Sultanov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Theoretical reaction dynamics study of the effect of vibrational excitation of CO on the OH+CO→H+CO2 reaction
R Valero et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Gaussian weighting in the quasiclassical trajectory method
L Bonnet et al.
CHEMICAL PHYSICS LETTERS (2004)
Role of CO vibration in the complex-forming OH plus CO→H+CO2 reaction -: art. no. 040701
R Valero et al.
PHYSICAL REVIEW A (2004)
Rapid neutral-neutral reactions at low temperatures: a new network and first results for TMC-1
IWM Smith et al.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2004)
A rigorous test of the statistical model for atom-diatom insertion reactions
EJ Rackham et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Quantum wave packet study of reactive and inelastic scattering between C(1D) and H2
SY Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Dynamics of the N(2D)+H2 reaction on the (X)over-tilde2 A surface, propagating real wave packets with an arccos mapping of the Hamiltonian
P Defazio et al.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2003)
A QCT study of the microscopic mechanisms proceeding via the ground PES of the O(1D)+H2 (X1Σg+)→OH(X2Π)+H(2S) reaction
J Hernando et al.
CHEMICAL PHYSICS LETTERS (2003)
A quasiclassical trajectory study of the reaction OH plus CO→H+CO2
MJ Lakin et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Exact quantum mechanical calculations of rovibrational energy levels of hydrogen peroxide (HOOH)
SY Lin et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Time-dependent wave packet study of the O+O2 (ν=0, j=0) exchange reaction
KL Yeh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Isotope dependence of the O+O2 exchange reaction:: Experiment and theory
P Fleurat-Lessard et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Quasiclassical and capture studies on the O(1D)+H2 → OH+H reaction using a new potential energy surface for H2O
J Brandao et al.
CHEMICAL PHYSICS LETTERS (2003)
Double-valued potential energy surface for H2O derived from accurate ab initio data and including long-range interactions
J Brandao et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Implementation of a fast analytic ground state potential energy surface for the N(2D)+H2 reaction
TS Ho et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Formation of ozone: Metastable states and anomalous isotope effect
D Babikov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Interference of quantized transition-state pathways in the H+D2→D+HD chemical reaction
DX Dai et al.
SCIENCE (2003)
Quasi-classical trajectory calculations on a fast analytic potential energy surface for the C(1D)+H2 reaction
L Bañares et al.
CHEMICAL PHYSICS LETTERS (2003)
Quantum origin of an anomalous isotope effect in ozone formation
D Babikov et al.
CHEMICAL PHYSICS LETTERS (2003)
Accurate quantum mechanical calculation for the N+OH reaction
MD Chen et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Metastable states of ozone calculated on an accurate potential energy surface
D Babikov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Dynamics of the S(1D)+H2→SH+H reaction:: a quantitative description using an accurate quantum method
P Honvault et al.
CHEMICAL PHYSICS LETTERS (2003)
Quantum mechanical and quasi-classical trajectory study of the C(1D)+H2 reaction dynamics
L Bañares et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Theoretical investigation of the temperature dependence of the O+O2 exchange reaction
P Fleurat-Lessard et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Quantum reaction dynamics and hyperspherical harmonics
A Kuppermann
ISRAEL JOURNAL OF CHEMISTRY (2003)
Toward a quantitative analysis of association reactions in the atmosphere
J Troe
CHEMICAL REVIEWS (2003)
Molecular potential-energy surfaces for chemical reaction dynamics
MA Collins
THEORETICAL CHEMISTRY ACCOUNTS (2002)
Theoretical rate constants for the OH plus CO→H+CO2 reaction using variational transition state theory on analytical potential energy surfaces
R Valero et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Exploring the OH+CO→H+CO2 potential surface via dissociative photodetachment of (HOCO)-
TG Clements et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Effect of a single quantum rotational excitation on state-to-state dynamics of the O(1D)+H2→OH+H reaction -: art. no. 133201
XH Liu et al.
PHYSICAL REVIEW LETTERS (2002)
Forward scattering due to slow-down of the intermediate in the H+HD→D+H2 reaction
SA Harich et al.
NATURE (2002)
Trajectory-surface-hopping study of the Renner-Teller effect in the N(2D)+H2 reaction
F Santoro et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Quasiclassical trajectory study of energy and angular distributions for the H+CO2→OH+CO reaction
D Troya et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Quantum effects in the differential cross sections for the insertion reaction N(2D)+H2 -: art. no. 013201
N Balucani et al.
PHYSICAL REVIEW LETTERS (2002)
The O(1D)+H2 reaction at 56 meV collision energy:: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results
FJ Aoiz et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Product state resolved dynamics of elementary reactions
M Brouard et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Does ozone have a barrier to dissociation and recombination?
R Hernández-Lamoneda et al.
CHEMICAL PHYSICS LETTERS (2002)
A globally smooth ab initio potential surface of the 1 A′ state for the reaction S(1D)+H2
TS Ho et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Converged five-dimensional quantum calculations for OH plus CO→H+CO2
DA McCormack et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Nonadiabatic quantum reactive scattering calculations for the O(1D)+H2, D2, and HD reactions on the lowest three potential energy surfaces
T Takayanagi
JOURNAL OF CHEMICAL PHYSICS (2002)
Full-dimensional quantal initial state-selected reaction probabilities (J=0) for the reaction OH(v=0, j=0)+CO(v=0,j=0)→CO2+H
DA McCormack et al.
CHEMICAL PHYSICS LETTERS (2002)
A quasiclassical trajectory and quantum mechanical study of the O(D-1)+D-2 reaction dynamics. Comparison with high resolution molecular beam experiments
FJ Aoiz et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
A computational study of the OH(OD) plus CO reactions: Effects of pressure, temperature, and quantum-mechanical tunneling on product formation
RS Zhu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
A study of the C(1D)+H2→CH+H reaction:: Global potential energy surface and quantum dynamics
B Bussery-Honvault et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
A theoretical study of the potential energy surface for the reaction OH+CO→H+CO2
HG Yu et al.
CHEMICAL PHYSICS LETTERS (2001)
Dispersion fitted finite difference method with applications to molecular quantum mechanics
SK Gray et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Predissociation dynamics of formyloxyl radical studied by the dissociative photodetachment of HCO2-/DCO2-+hν→H/D+CO2+e-
TG Clements et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Theoretical studies of the HO+O↔HO2↔H+O2 reaction.: II.: Classical trajectory calculations on an ab initio potential for temperatures between 300 and 5000 K
J Troe et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Coupled-channel statistical theory of the N(2D)+H2 and O(1D)+H2 insertion reactions
EJ Rackham et al.
CHEMICAL PHYSICS LETTERS (2001)
Strange and unconventional isotope effects in ozone formation
YQ Gao et al.
SCIENCE (2001)
A quasiclassical trajectory study of reactivity and product energy disposal in H+H2O, H+D2O, and H+HOD
D Troya et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Dynamics of the H+O2 → O+OHchain-branching reaction:: Accurate quantum mechanical and experimental absolute reaction cross sections
M Abu Bajeh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Dynamics of the N(2D)+D2 reaction from crossed-beam and quasiclassical trajectory studies
N Balucani et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Coriolis-coupled quantum dynamics for 0(1D)+H2→OH+H
TE Carroll et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Quasi-classical trajectory studies of the insertion reactions S(1D)+H2, HD, and D2
SD Chao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Quantum mechanical calculation of reaction probabilities and branching ratios for the O(1D)+HD → OH(OD) plus D(H) reaction on the (X)over-tilde1A′ and 11A adiabatic potential energy surfaces
M Hankel et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Insertion and abstraction pathways in the reaction O(1D2)+H2→OH+H
FJ Aoiz et al.
PHYSICAL REVIEW LETTERS (2001)
Quantum wavepacket method for state-to-state reactive cross sections
SC Althorpe
JOURNAL OF CHEMICAL PHYSICS (2001)
A quantum-mechanical study of the dynamics of the O(1D)+H2→OH+H insertion reaction
P Honvault et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
State-to-state dynamics for O(1D)+D2→OD+D:: Evidence for a collinear abstraction mechanism
XH Liu et al.
PHYSICAL REVIEW LETTERS (2001)
Spectroscopy of ozone at the dissociation threshold: Quantum calculations of bound and resonance states on a new global potential energy surface
R Siebert et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)
Kinetic origin of the ozone isotope effect: a critical analysis of enrichments and rate coefficients
C Janssen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)
Reaction dynamics of S(D-1)+H-2/D-2 on a new ab initio potential surface
AS Zyubin et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Mapping the OH+CO -> HOCO reaction pathway through IR spectroscopy of the OH-CO reactant complex
MI Lester et al.
FARADAY DISCUSSIONS (2001)
Time-dependent quantum mechanical calculations on H+O2 for total angular momentum J>0.: III.: Total cross sections
EM Goldfield et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Statistical rate theory for the HO+O↔HO2↔H+O2 reaction system:: SACM/CT calculations between 0 and 5000 K
LB Harding et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Exploring the OH plus CO reaction coordinate via infrared spectroscopy of the OH-CO reactant complex
MI Lester et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
ABC: a quantum reactive scattering program
D Skouteris et al.
COMPUTER PHYSICS COMMUNICATIONS (2000)
Quantum mechanical calculation of product state distributions for the O(1D)+H2→OH+H reaction on the ground electronic state surface
M Hankel et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Direct mapping of insertion reaction dynamics:: S(1D)+H2→SH+H
SH Lee et al.
APPLIED PHYSICS B-LASERS AND OPTICS (2000)
Probing the effect of the H2 rotational state in O(1D)+H2→OH+H:: Theoretical dynamics including nonadiabatic effects and a crossed molecular beam study
SK Gray et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
The dynamics of the O(1D) plus HD reaction:: A quasiclassical trajectory multisurface study
FJ Aoiz et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
A crossed-beam study of the reaction C(1D)+H2(X1Σ+,υ=0)→CH(X2Π,υ′)+H(2S)
A Bergeat et al.
CHEMICAL PHYSICS LETTERS (2000)
State-to-state reaction probabilities using bond coordinates:: Application to the Li + HF(v, j) collision
M Lara et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Quantum state specific dynamics for the O(1D)+HD→OD+H reaction
XH Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Quantum theory of bimolecular chemical reactions
G Nyman et al.
REPORTS ON PROGRESS IN PHYSICS (2000)
Parallel strategies for four-atom quantum dynamics calculations
EM Goldfield
COMPUTER PHYSICS COMMUNICATIONS (2000)
Verification of the insertion mechanism of N(2 2D) into H-H bonds by the vibrational state distribution measurement of NH(X 3Σ-,0≤ v≤3)
H Umemoto et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Potential energy surface of the (A)over-tilde state of NH2 and the role of excited states in the N(2D)+H2 reaction
LA Pederson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
The product rovibrational and spin-orbit state dependent dynamics of the complex reaction H+CO2→OH(2Π;ν,N,Ω, f)+CO:: Memories of a lifetime
M Brouard et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Chemical reaction dynamics with molecular beams
P Casavecchia
REPORTS ON PROGRESS IN PHYSICS (2000)
Global potential energy surfaces for the H+3 system.: Analytical representation of the adiabatic ground-state 1 1A′ potential
A Aguado et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
A crossed-beam study of the reaction O(D-1)+D-2: Collisional energy dependence of differential cross-section
P Hermine et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2000)
Classical trajectory calculations of the high pressure limiting rate constants and of specific rate constants for the reaction H+O-2 -> HO2: dynamic isotope effects between tritium plus O-2 and muonium plus O-2
LB Harding et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2000)
A quantum state-resolved insertion reaction: O(D-1)+H-2(J=O) -> OH((2)Pi, v, N)+H(S-2)
XH Liu et al.
SCIENCE (2000)
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
MH Beck et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2000)
分享论文
